SCHEMBL7703247

SCHEMBL7703247

COc1ccc(CN2Cc3sc(NC4CCCCO4)c(C(=O)O)c3CC2CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Br)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.49
GAA P10253 4/20 0.43
RXFP1 Q9HBX9 6/20 0.43
TP53 P04637 3/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.41
PPARG P37231 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 3/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7515843 0.88 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2GLAPKM
SCHEMBL7542531 0.87 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2GLAPKM
SCHEMBL7699895 0.77 KMT2A (0.42) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL7701621 0.77 HDAC1 (0.36) KDM4EALDH1A1GLAKMT2AHPGD
SCHEMBL7694698 0.76 BCHE (0.40) KDM4EALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL7555860 0.75 AKR1C2 (0.37) KDM4EGAAKMT2APOLBLMNA
SCHEMBL7542021 0.75 PTPN1 (0.38) GAAKMT2A
SCHEMBL5837637 0.74 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2GLAPKM
SCHEMBL7571116 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7702006 0.70 KDM4E (0.46) KDM4EALDH1A1KMT2AHPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO claimed
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO disclosed